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Compile Data Set for Download or QSAR

Found 1768 hits with Last Name = 'sasaki' and Initial = 'y'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50111903
PNG
((S)-1-[(S)-2-{2-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C42H54N8O10/c1-23-6-4-7-24(2)30(23)20-32(48-38(56)25(3)46-39(57)31(43)18-26-9-13-28(52)14-10-26)40(58)45-21-36(54)47-33(19-27-11-15-29(53)16-12-27)42(60)50-17-5-8-35(50)41(59)49-34(22-51)37(44)55/h4,6-7,9-16,25,31-35,51-53H,5,8,17-22,43H2,1-3H3,(H2,44,55)(H,45,58)(H,46,57)(H,47,54)(H,48,56)(H,49,59)/t25-,31-,32-,33-,34-,35-/m0/s1
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0.000540n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor mu 1 using [3H]-DAMGO in rat brain synaptosomes was determined


Bioorg Med Chem Lett 12: 879-81 (2002)


BindingDB Entry DOI: 10.7270/Q2X34WSM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50111905
PNG
((S)-4-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c(C)cccc1C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-20(2)33(39(57)43-19-31(42)50)48-40(58)34(21(3)4)47-37(55)29(15-16-32(51)52)45-38(56)30(18-27-22(5)9-8-10-23(27)6)46-35(53)24(7)44-36(54)28(41)17-25-11-13-26(49)14-12-25/h8-14,20-21,24,28-30,33-34,49H,15-19,41H2,1-7H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t24-,28-,29-,30-,33-,34-/m0/s1
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0.00105n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor delta 1 using [3H]-DT in rat brain synaptosomes was determined


Bioorg Med Chem Lett 12: 879-81 (2002)


BindingDB Entry DOI: 10.7270/Q2X34WSM
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125999
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O
Show InChI InChI=1S/C29H42N8O5/c1-17-13-20(38)14-18(2)21(17)16-22(30)26(40)36-23(9-6-11-35-29(32)33)28(42)37-24(15-19-7-4-3-5-8-19)27(41)34-12-10-25(31)39/h3-5,7-8,13-14,22-24,38H,6,9-12,15-16,30H2,1-2H3,(H2,31,39)(H,34,41)(H,36,40)(H,37,42)(H4,32,33,35)/t22-,23+,24-/m0/s1
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0.00205n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-DAMGO from mu opioid receptor


Bioorg Med Chem Lett 13: 1269-72 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TQ5
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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0.00260n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor delta 1 using [3H]-DT in rat brain synaptosomes was determined


Bioorg Med Chem Lett 12: 879-81 (2002)


BindingDB Entry DOI: 10.7270/Q2X34WSM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50368723
PNG
(Metanopirone | Sediel | TANDOSPIRONE HYDROCHLORIDE...)
Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |r|
Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
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0.00270n/an/an/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50096716
PNG
(CHEMBL100480 | Enkephalin derivative)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C30H41N5O7/c1-17(2)10-25(30(41)42)35-29(40)24(13-20-8-6-5-7-9-20)34-27(38)16-32-26(37)15-33-28(39)23(31)14-22-18(3)11-21(36)12-19(22)4/h5-9,11-12,17,23-25,36H,10,13-16,31H2,1-4H3,(H,32,37)(H,33,39)(H,34,38)(H,35,40)(H,41,42)/t23-,24-,25-/m0/s1
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0.00680n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity was determined towards Opioid receptor mu 1 in rat brain synaptosomes using [3H]-DAMGO as radioligand.


Bioorg Med Chem Lett 11: 327-9 (2001)


BindingDB Entry DOI: 10.7270/Q2571B8P
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50375695
PNG
(CHEMBL270984)
Show SMILES Cc1cc(O)cc(O)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C43H49N5O9/c1-27-20-32(49)23-38(50)33(27)24-34(44)41(53)48-25-31-17-9-8-16-30(31)22-37(48)40(52)47-36(21-28-12-4-2-5-13-28)39(51)46-35(42(54)55)18-10-11-19-45-43(56)57-26-29-14-6-3-7-15-29/h2-9,12-17,20,23,34-37,49-50H,10-11,18-19,21-22,24-26,44H2,1H3,(H,45,56)(H,46,51)(H,47,52)(H,54,55)/t34-,35-,36-,37+/m0/s1
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0.0190n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 1817-23 (2008)


Article DOI: 10.1021/jm7014765
BindingDB Entry DOI: 10.7270/Q24T6K7K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50194487
PNG
(3-[4'-(H-Dmt)-aminobutyl]-6-[3'-(H-Dmt)-aminopropy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[nH]c1=O
Show InChI InChI=1S/C34H48N6O5/c1-19-13-24(41)14-20(2)26(19)17-28(35)32(43)37-11-7-6-9-31-34(45)40-30(23(5)39-31)10-8-12-38-33(44)29(36)18-27-21(3)15-25(42)16-22(27)4/h13-16,28-29,41-42H,6-12,17-18,35-36H2,1-5H3,(H,37,43)(H,38,44)(H,40,45)/t28-,29-/m0/s1
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0.0210n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat synaptosomes P2 fraction


Bioorg Med Chem Lett 16: 5793-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.079
BindingDB Entry DOI: 10.7270/Q26Q1WWH
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50126000
PNG
((R)-2-[(S)-2-Amino-3-(2,6-dimethyl-phenyl)-propion...)
Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCCC(N)=O
Show InChI InChI=1S/C31H46N8O4/c1-18-8-5-9-19(2)22(18)16-24(32)28(41)38-25(12-7-14-37-31(34)35)30(43)39-26(29(42)36-15-13-27(33)40)17-23-20(3)10-6-11-21(23)4/h5-6,8-11,24-26H,7,12-17,32H2,1-4H3,(H2,33,40)(H,36,42)(H,38,41)(H,39,43)(H4,34,35,37)/t24-,25+,26-/m0/s1
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0.0216n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-DAMGO from mu opioid receptor


Bioorg Med Chem Lett 13: 1269-72 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TQ5
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50096719
PNG
((S)-2-[(R)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-2,6-d...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c(C)cccc1C)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C32H45N5O7/c1-17(2)10-27(32(43)44)37-31(42)26(14-24-18(3)8-7-9-19(24)4)36-29(40)16-34-28(39)15-35-30(41)25(33)13-23-20(5)11-22(38)12-21(23)6/h7-9,11-12,17,25-27,38H,10,13-16,33H2,1-6H3,(H,34,39)(H,35,41)(H,36,40)(H,37,42)(H,43,44)/t25-,26+,27-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity was determined towards Opioid receptor mu 1 in rat brain synaptosomes using [3H]-DAMGO as radioligand.


Bioorg Med Chem Lett 11: 327-9 (2001)


BindingDB Entry DOI: 10.7270/Q2571B8P
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50096716
PNG
(CHEMBL100480 | Enkephalin derivative)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C30H41N5O7/c1-17(2)10-25(30(41)42)35-29(40)24(13-20-8-6-5-7-9-20)34-27(38)16-32-26(37)15-33-28(39)23(31)14-22-18(3)11-21(36)12-19(22)4/h5-9,11-12,17,23-25,36H,10,13-16,31H2,1-4H3,(H,32,37)(H,33,39)(H,34,38)(H,35,40)(H,41,42)/t23-,24-,25-/m0/s1
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0.0310n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity was determined towards Opioid receptor delta 1 in rat brain synaptosomes using [3H]-deltorphin II as radioligand.


Bioorg Med Chem Lett 11: 327-9 (2001)


BindingDB Entry DOI: 10.7270/Q2571B8P
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50266025
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1
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0.0310n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297301
PNG
((S)-1H-benzo[d]imidazol-2-yl 3-acetoxy-2-((S)-2-((...)
Show SMILES CC(=O)OC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C33H35N5O6/c1-18-12-23(40)13-19(2)24(18)15-25(34)33(43)38-16-22-9-5-4-8-21(22)14-29(38)32(42)37-28(17-44-20(3)39)30(41)31-35-26-10-6-7-11-27(26)36-31/h4-13,25,28-29,40H,14-17,34H2,1-3H3,(H,35,36)(H,37,42)/t25-,28-,29-/m0/s1
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0.0350n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50126003
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...)
Show SMILES Cc1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(N)=O
Show InChI InChI=1S/C29H42N8O5/c1-17-5-3-6-18(2)21(17)16-24(27(41)34-14-12-25(31)39)37-28(42)23(7-4-13-35-29(32)33)36-26(40)22(30)15-19-8-10-20(38)11-9-19/h3,5-6,8-11,22-24,38H,4,7,12-16,30H2,1-2H3,(H2,31,39)(H,34,41)(H,36,40)(H,37,42)(H4,32,33,35)/t22-,23+,24-/m0/s1
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0.0350n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-DAMGO from mu opioid receptor


Bioorg Med Chem Lett 13: 1269-72 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TQ5
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179191
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26-/m0/s1
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0.0350n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179191
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26-/m0/s1
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0.0350n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179191
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26-/m0/s1
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0.0350n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 3032-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.032
BindingDB Entry DOI: 10.7270/Q2NZ88H7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297286
PNG
(1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino-3-(...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C30H31N5O4/c1-17-11-21(36)12-18(2)22(17)14-23(31)30(39)35-16-20-8-4-3-7-19(20)13-26(35)29(38)32-15-27(37)28-33-24-9-5-6-10-25(24)34-28/h3-12,23,26,36H,13-16,31H2,1-2H3,(H,32,38)(H,33,34)/t23-,26-/m0/s1
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0.0350n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272171
PNG
(CHEMBL501202 | H-Dmt-Tic-Asp-NH-Ph)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C31H34N4O6/c1-18-12-23(36)13-19(2)24(18)15-25(32)31(41)35-17-21-9-7-6-8-20(21)14-27(35)30(40)34-26(16-28(37)38)29(39)33-22-10-4-3-5-11-22/h3-13,25-27,36H,14-17,32H2,1-2H3,(H,33,39)(H,34,40)(H,37,38)/t25-,26-,27-/m0/s1
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0.0360n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50130611
PNG
(2-Amino-N-{4-[2-amino-3-(4-hydroxy-2,6-dimethyl-ph...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C26H38N4O4/c1-15-9-19(31)10-16(2)21(15)13-23(27)25(33)29-7-5-6-8-30-26(34)24(28)14-22-17(3)11-20(32)12-18(22)4/h9-12,23-24,31-32H,5-8,13-14,27-28H2,1-4H3,(H,29,33)(H,30,34)/t23-,24+
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0.0400n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor mu 1 using [3H]-DAGO in rat brain P2 synaptosomal preparation


J Med Chem 46: 3201-9 (2003)


Article DOI: 10.1021/jm020459z
BindingDB Entry DOI: 10.7270/Q28C9VMQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50031226
PNG
((S)-3-[2-({(S)-2-[(S)-2-((S)-2-{(R)-2-[(S)-2-Amino...)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(O)=O)C(N)=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C45H64N10O10S/c1-5-6-17-55(25-38(57)50-34(40(47)60)23-39(58)59)45(65)37(19-27(2)3)54-44(64)36(22-30-24-48-26-49-30)53-43(63)35(21-28-10-8-7-9-11-28)52-42(62)33(16-18-66-4)51-41(61)32(46)20-29-12-14-31(56)15-13-29/h7-15,24,26-27,32-37,56H,5-6,16-23,25,46H2,1-4H3,(H2,47,60)(H,48,49)(H,50,57)(H,51,61)(H,52,62)(H,53,63)(H,54,64)(H,58,59)/t32-,33+,34-,35-,36-,37-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to rat brain delta receptor


J Med Chem 38: 3995-9 (1995)


BindingDB Entry DOI: 10.7270/Q2P849WG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297303
PNG
((S)-5-(1H-benzo[d]imidazol-2-yloxy)-4-((S)-2-((S)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C33H35N5O6/c1-18-13-22(39)14-19(2)23(18)16-24(34)33(44)38-17-21-8-4-3-7-20(21)15-28(38)32(43)37-27(11-12-29(40)41)30(42)31-35-25-9-5-6-10-26(25)36-31/h3-10,13-14,24,27-28,39H,11-12,15-17,34H2,1-2H3,(H,35,36)(H,37,43)(H,40,41)/t24-,27-,28-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272081
PNG
(2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C29H32N4O4/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(37)33-17-21-9-7-6-8-20(21)14-26(33)28(36)31-16-27(35)32-22-10-4-3-5-11-22/h3-13,25-26,34H,14-17,30H2,1-2H3,(H,31,36)(H,32,35)/t25-,26-/m0/s1
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0.0420n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50221787
PNG
(CHEMBL3216418)
Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCCCc1nc(O)c(CCCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C
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0.0420n/an/an/an/an/an/an/an/a



National Institutes of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Compound was tested for Opioid receptor mu 1 agonism in isolated tissues from guinea pig ileum


J Med Chem 47: 2599-610 (2004)


Article DOI: 10.1021/jm0304616
BindingDB Entry DOI: 10.7270/Q2RB755V
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50212613
PNG
(CHEMBL266122 | Tyr-Pro-Dmp-Phe-NH2)
Show SMILES Cc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H41N5O5/c1-21-8-6-9-22(2)26(21)20-29(32(42)37-28(31(36)41)19-23-10-4-3-5-11-23)38-33(43)30-12-7-17-39(30)34(44)27(35)18-24-13-15-25(40)16-14-24/h3-6,8-11,13-16,27-30,40H,7,12,17-20,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/t27-,28-,29-,30-/m0/s1
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0.0440n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297294
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C37H37N5O4/c1-22-16-27(43)17-23(2)28(22)20-29(38)37(46)42-21-26-13-7-6-12-25(26)19-33(42)36(45)41-32(18-24-10-4-3-5-11-24)34(44)35-39-30-14-8-9-15-31(30)40-35/h3-17,29,32-33,43H,18-21,38H2,1-2H3,(H,39,40)(H,41,45)/t29-,32-,33-/m0/s1
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0.0490n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50130617
PNG
(2-Amino-N-{6-[2-amino-3-(4-hydroxy-2,6-dimethyl-ph...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C28H42N4O4/c1-17-11-21(33)12-18(2)23(17)15-25(29)27(35)31-9-7-5-6-8-10-32-28(36)26(30)16-24-19(3)13-22(34)14-20(24)4/h11-14,25-26,33-34H,5-10,15-16,29-30H2,1-4H3,(H,31,35)(H,32,36)/t25-,26+
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0.0500n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor mu 1 using [3H]-DAGO in rat brain P2 synaptosomal preparation


J Med Chem 46: 3201-9 (2003)


Article DOI: 10.1021/jm020459z
BindingDB Entry DOI: 10.7270/Q28C9VMQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297299
PNG
((S)-1H-benzo[d]imidazol-2-yl 4-amino-2-((S)-2-((S)...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C32H34N6O5/c1-17-11-21(39)12-18(2)22(17)14-23(33)32(43)38-16-20-8-4-3-7-19(20)13-27(38)31(42)37-26(15-28(34)40)29(41)30-35-24-9-5-6-10-25(24)36-30/h3-12,23,26-27,39H,13-16,33H2,1-2H3,(H2,34,40)(H,35,36)(H,37,42)/t23-,26-,27-/m0/s1
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0.0510n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50194488
PNG
(6-[4'-(H-Dmt)-aminobutyl]-3-[3'-(H-Dmt)-aminopropy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C34H48N6O5/c1-19-13-24(41)14-20(2)26(19)17-28(35)32(43)37-11-7-6-9-30-23(5)39-31(34(45)40-30)10-8-12-38-33(44)29(36)18-27-21(3)15-25(42)16-22(27)4/h13-16,28-29,41-42H,6-12,17-18,35-36H2,1-5H3,(H,37,43)(H,38,44)(H,40,45)/t28-,29-/m0/s1
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0.0510n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat synaptosomes P2 fraction


Bioorg Med Chem Lett 16: 5793-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.079
BindingDB Entry DOI: 10.7270/Q26Q1WWH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272230
PNG
(CHEMBL450566 | H-Dmt-Tic-Asp-NH-Bzl)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C32H36N4O6/c1-19-12-24(37)13-20(2)25(19)15-26(33)32(42)36-18-23-11-7-6-10-22(23)14-28(36)31(41)35-27(16-29(38)39)30(40)34-17-21-8-4-3-5-9-21/h3-13,26-28,37H,14-18,33H2,1-2H3,(H,34,40)(H,35,41)(H,38,39)/t26-,27-,28-/m0/s1
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0.0540n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50199865
PNG
((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C36H42N6O5/c1-21-15-25(43)16-22(2)27(21)19-28(37)36(47)42-14-8-13-32(42)35(46)41-31(18-24-20-39-29-12-7-6-11-26(24)29)34(45)40-30(33(38)44)17-23-9-4-3-5-10-23/h3-7,9-12,15-16,20,28,30-32,39,43H,8,13-14,17-19,37H2,1-2H3,(H2,38,44)(H,40,45)(H,41,46)/t28-,30-,31-,32-/m0/s1
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0.0540n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain P2 synaptosome


Bioorg Med Chem 15: 1237-51 (2007)


Article DOI: 10.1016/j.bmc.2006.11.019
BindingDB Entry DOI: 10.7270/Q2348K1F
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272224
PNG
(CHEMBL498799 | H-Dmt-Tic-D-Asp-NH-Ph)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CC(O)=O)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C31H34N4O6/c1-18-12-23(36)13-19(2)24(18)15-25(32)31(41)35-17-21-9-7-6-8-20(21)14-27(35)30(40)34-26(16-28(37)38)29(39)33-22-10-4-3-5-11-22/h3-13,25-27,36H,14-17,32H2,1-2H3,(H,33,39)(H,34,40)(H,37,38)/t25-,26+,27-/m0/s1
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0.0580n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272227
PNG
(CHEMBL450263 | H-Dmt-Tic-NH-(S)CH(CH2-COOH)-Bid(N1...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C32H35N5O5/c1-18-12-22(38)13-19(2)23(18)15-24(33)32(42)37-17-21-9-5-4-8-20(21)14-28(37)31(41)35-26(16-29(39)40)30-34-25-10-6-7-11-27(25)36(30)3/h4-13,24,26,28,38H,14-17,33H2,1-3H3,(H,35,41)(H,39,40)/t24-,26-,28-/m0/s1
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0.0590n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50178759
PNG
(1,6-bis-(N,N-dimethyl-Dmt-Tic-NH)hexane | CHEMBL37...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(O)cc1C)N(C)C
Show InChI InChI=1S/C52H68N6O6/c1-33-23-41(59)24-34(2)43(33)29-47(55(5)6)51(63)57-31-39-19-13-11-17-37(39)27-45(57)49(61)53-21-15-9-10-16-22-54-50(62)46-28-38-18-12-14-20-40(38)32-58(46)52(64)48(56(7)8)30-44-35(3)25-42(60)26-36(44)4/h11-14,17-20,23-26,45-48,59-60H,9-10,15-16,21-22,27-32H2,1-8H3,(H,53,61)(H,54,62)/t45?,46?,47-,48-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin-II from delta opioid receptor in rat brain synaptosomal membranes


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125997
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...)
Show SMILES Cc1cccc(C)c1C[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(N)=O
Show InChI InChI=1S/C29H42N8O5/c1-17-5-3-6-18(2)21(17)16-24(27(41)34-14-12-25(31)39)37-28(42)23(7-4-13-35-29(32)33)36-26(40)22(30)15-19-8-10-20(38)11-9-19/h3,5-6,8-11,22-24,38H,4,7,12-16,30H2,1-2H3,(H2,31,39)(H,34,41)(H,36,40)(H,37,42)(H4,32,33,35)/t22-,23+,24+/m0/s1
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0.0618n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-DAMGO from mu opioid receptor


Bioorg Med Chem Lett 13: 1269-72 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TQ5
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125996
PNG
((R)-2-[(S)-2-Amino-3-(2,6-dimethyl-phenyl)-propion...)
Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O
Show InChI InChI=1S/C29H42N8O4/c1-18-8-6-9-19(2)21(18)17-22(30)26(39)36-23(12-7-14-35-29(32)33)28(41)37-24(16-20-10-4-3-5-11-20)27(40)34-15-13-25(31)38/h3-6,8-11,22-24H,7,12-17,30H2,1-2H3,(H2,31,38)(H,34,40)(H,36,39)(H,37,41)(H4,32,33,35)/t22-,23+,24-/m0/s1
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0.0623n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-DAMGO from mu opioid receptor


Bioorg Med Chem Lett 13: 1269-72 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TQ5
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50159681
PNG
((S)-1-[2-Amino-3-(2-ethyl-4-hydroxy-6-methyl-pheny...)
Show SMILES CCc1cc(O)cc(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43N5O5/c1-3-25-20-26(41)17-22(2)27(25)21-28(36)35(45)40-16-10-15-31(40)34(44)39-30(19-24-13-8-5-9-14-24)33(43)38-29(32(37)42)18-23-11-6-4-7-12-23/h4-9,11-14,17,20,28-31,41H,3,10,15-16,18-19,21,36H2,1-2H3,(H2,37,42)(H,38,43)(H,39,44)/t28?,29-,30-,31-/m0/s1
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0.0630n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to mu-Opioid receptor


J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297287
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C31H33N5O4/c1-17-12-22(37)13-18(2)23(17)15-24(32)31(40)36-16-21-9-5-4-8-20(21)14-27(36)30(39)33-19(3)28(38)29-34-25-10-6-7-11-26(25)35-29/h4-13,19,24,27,37H,14-16,32H2,1-3H3,(H,33,39)(H,34,35)/t19-,24-,27-/m0/s1
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0.0630n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297297
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)c1nc2ccccc2[nH]1 |r,w:31.33|
Show InChI InChI=1S/C34H39N9O6/c1-19-14-23(44)15-20(2)24(19)17-25(35)33(47)42-18-22-9-4-3-8-21(22)16-29(42)32(46)40-28(12-7-13-37-34(36)41-43(48)49)30(45)31-38-26-10-5-6-11-27(26)39-31/h3-6,8-11,14-15,25,28-29,44H,7,12-13,16-18,35H2,1-2H3,(H,38,39)(H,40,46)(H3,36,37,41)/t25-,28-,29-/m0/s1
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0.0650n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50375294
PNG
(CHEMBL408975)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cc2ccccc2[nH]1
Show InChI InChI=1S/C30H32N4O3/c1-18-11-24(35)12-19(2)25(18)15-26(31)30(37)34-17-22-9-4-3-7-20(22)14-28(34)29(36)32-16-23-13-21-8-5-6-10-27(21)33-23/h3-13,26,28,33,35H,14-17,31H2,1-2H3,(H,32,36)/t26-,28-/m0/s1
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0.0660n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 3032-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.032
BindingDB Entry DOI: 10.7270/Q2NZ88H7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272229
PNG
(CHEMBL444197 | H-Dmt-Tic-NH-(R)CH(CH2-COOH)-Bid)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C31H33N5O5/c1-17-11-21(37)12-18(2)22(17)14-23(32)31(41)36-16-20-8-4-3-7-19(20)13-27(36)30(40)35-26(15-28(38)39)29-33-24-9-5-6-10-25(24)34-29/h3-12,23,26-27,37H,13-16,32H2,1-2H3,(H,33,34)(H,35,40)(H,38,39)/t23-,26+,27-/m0/s1
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0.0670n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50212609
PNG
(CHEMBL228409 | Dmt-Pro-Dmp-Phe-NH2)
Show SMILES Cc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45N5O5/c1-21-10-8-11-22(2)28(21)20-31(34(44)39-30(33(38)43)18-25-12-6-5-7-13-25)40-35(45)32-14-9-15-41(32)36(46)29(37)19-27-23(3)16-26(42)17-24(27)4/h5-8,10-13,16-17,29-32,42H,9,14-15,18-20,37H2,1-4H3,(H2,38,43)(H,39,44)(H,40,45)/t29-,30-,31-,32-/m0/s1
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0.0690n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272228
PNG
(CHEMBL499099 | H-Dmt-Tic-NH-(R)CH(CH2-COOH)-Bid(N1...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CC(O)=O)c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C32H35N5O5/c1-18-12-22(38)13-19(2)23(18)15-24(33)32(42)37-17-21-9-5-4-8-20(21)14-28(37)31(41)35-26(16-29(39)40)30-34-25-10-6-7-11-27(25)36(30)3/h4-13,24,26,28,38H,14-17,33H2,1-3H3,(H,35,41)(H,39,40)/t24-,26+,28-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297301
PNG
((S)-1H-benzo[d]imidazol-2-yl 3-acetoxy-2-((S)-2-((...)
Show SMILES CC(=O)OC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C33H35N5O6/c1-18-12-23(40)13-19(2)24(18)15-25(34)33(43)38-16-22-9-5-4-8-21(22)14-29(38)32(42)37-28(17-44-20(3)39)30(41)31-35-26-10-6-7-11-27(26)36-31/h4-13,25,28-29,40H,14-17,34H2,1-3H3,(H,35,36)(H,37,42)/t25-,28-,29-/m0/s1
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0.0770n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297296
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C34H39N5O4/c1-19(2)13-29(31(41)32-36-27-11-7-8-12-28(27)37-32)38-33(42)30-16-22-9-5-6-10-23(22)18-39(30)34(43)26(35)17-25-20(3)14-24(40)15-21(25)4/h5-12,14-15,19,26,29-30,40H,13,16-18,35H2,1-4H3,(H,36,37)(H,38,42)/t26-,29-,30-/m0/s1
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0.0820n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272226
PNG
(CHEMBL502302 | H-Dmt-Tic-D-Asp-N(Me)-Ph)
Show SMILES CN(C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
Show InChI InChI=1S/C32H36N4O6/c1-19-13-24(37)14-20(2)25(19)16-26(33)31(41)36-18-22-10-8-7-9-21(22)15-28(36)30(40)34-27(17-29(38)39)32(42)35(3)23-11-5-4-6-12-23/h4-14,26-28,37H,15-18,33H2,1-3H3,(H,34,40)(H,38,39)/t26-,27+,28-/m0/s1
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0.0840n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50159684
PNG
((S)-1-[2-Amino-3-(2,6-diethyl-4-hydroxy-phenyl)-pr...)
Show SMILES CCc1cc(O)cc(CC)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45N5O5/c1-3-25-20-27(42)21-26(4-2)28(25)22-29(37)36(46)41-17-11-16-32(41)35(45)40-31(19-24-14-9-6-10-15-24)34(44)39-30(33(38)43)18-23-12-7-5-8-13-23/h5-10,12-15,20-21,29-32,42H,3-4,11,16-19,22,37H2,1-2H3,(H2,38,43)(H,39,44)(H,40,45)/t29?,30-,31-,32-/m0/s1
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0.0840n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to mu-Opioid receptor


J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50031219
PNG
((S)-3-[2-({(S)-2-[(S)-2-((S)-2-{(R)-2-[(S)-2-Amino...)
Show SMILES CC[C@H](C)N(CC(=O)N[C@@H](CC(O)=O)C(N)=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C45H64N10O10S/c1-6-27(4)55(24-38(57)50-34(40(47)60)22-39(58)59)45(65)37(18-26(2)3)54-44(64)36(21-30-23-48-25-49-30)53-43(63)35(20-28-10-8-7-9-11-28)52-42(62)33(16-17-66-5)51-41(61)32(46)19-29-12-14-31(56)15-13-29/h7-15,23,25-27,32-37,56H,6,16-22,24,46H2,1-5H3,(H2,47,60)(H,48,49)(H,50,57)(H,51,61)(H,52,62)(H,53,63)(H,54,64)(H,58,59)/t27-,32-,33+,34-,35-,36-,37-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to rat brain delta receptor


J Med Chem 38: 3995-9 (1995)


BindingDB Entry DOI: 10.7270/Q2P849WG
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50212619
PNG
(CHEMBL388800 | Dmt-Pro-Dmt-Phe-NH2)
Show SMILES Cc1cc(O)ccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43N5O6/c1-20-14-25(41)12-11-24(20)18-30(33(44)38-29(32(37)43)17-23-8-5-4-6-9-23)39-34(45)31-10-7-13-40(31)35(46)28(36)19-27-21(2)15-26(42)16-22(27)3/h4-6,8-9,11-12,14-16,28-31,41-42H,7,10,13,17-19,36H2,1-3H3,(H2,37,43)(H,38,44)(H,39,45)/t28-,29-,30-,31-/m0/s1
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0.0920n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50178757
PNG
(3-(Dmt-Tic-NH-butyl)-6-(Dmt-Tic-NH-propyl)-2-(1H)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1nc(C)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[nH]c1=O
Show InChI InChI=1S/C54H66N8O7/c1-31-21-40(63)22-32(2)42(31)27-44(55)53(68)61-29-38-15-8-6-13-36(38)25-48(61)51(66)57-19-11-10-17-47-50(65)60-46(35(5)59-47)18-12-20-58-52(67)49-26-37-14-7-9-16-39(37)30-62(49)54(69)45(56)28-43-33(3)23-41(64)24-34(43)4/h6-9,13-16,21-24,44-45,48-49,63-64H,10-12,17-20,25-30,55-56H2,1-5H3,(H,57,66)(H,58,67)(H,60,65)/t44-,45-,48?,49?/m0/s1
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Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin-II from delta opioid receptor in rat brain synaptosomal membranes


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
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